(E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide

C20H22FNO4 — CID 26960573

IUPAC(E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide
SMILESCOc1cc(/C=C/C(=O)N(C)CCOc2ccccc2F)cc(OC)c1
InChIInChI=1S/C20H22FNO4/c1-22(10-11-26-19-7-5-4-6-18(19)21)20(23)9-8-15-12-16(24-2)14-17(13-15)25-3/h4-9,12-14H,10-11H2,1-3H3/b9-8+
InChIKeyMMVSPCVDVUAIFP-CMDGGOBGSA-N
MW359.40 g/mol
LogP3.39
Rot. Bonds8

About (E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide

(E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide (PubChem CID 26960573) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is (E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide
PubChem CID26960573
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name(E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide
SMILESCOc1cc(/C=C/C(=O)N(C)CCOc2ccccc2F)cc(OC)c1
InChIInChI=1S/C20H22FNO4/c1-22(10-11-26-19-7-5-4-6-18(19)21)20(23)9-8-15-12-16(24-2)14-17(13-15)25-3/h4-9,12-14H,10-11H2,1-3H3/b9-8+
InChIKeyMMVSPCVDVUAIFP-CMDGGOBGSA-N
XLogP3.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide (CID 26960573) is (E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide is COc1cc(/C=C/C(=O)N(C)CCOc2ccccc2F)cc(OC)c1.
What is the InChIKey of (E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide?
The InChIKey is MMVSPCVDVUAIFP-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-22(10-11-26-19-7-5-4-6-18(19)21)20(23)9-8-15-12-16(24-2)14-17(13-15)25-3/h4-9,12-14H,10-11H2,1-3H3/b9-8+.
What are the key properties of (E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide?
(E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide has a molecular weight of 359.40 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 26960573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).